dimethyl 3-[4-(prop-2-enylcarbamothioylamino)pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-(prop-2-enylcarbamothioylamino)pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-(allylcarbamothioylamino)pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-(prop-2-enylcarbamothioylamino)pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-(allylthiocarbamoylamino)pyrazol-1-yl]glutaric acid dimethyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=S)NCC=C

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=S)NCC=C

InChI

InChI=1S/C14H20N4O4S/c1-4-5-15-14(23)17-10-8-16-18(9-10)11(6-12(19)21-2)7-13(20)22-3/h4,8-9,11H,1,5-7H2,2-3H3,(H2,15,17,23)